Geometry & MOs

Info

ID:	333182
PubChem CID:	127251730
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	2.43
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations